ChemSpider 2D Image | 2-Fluoro-6-({2-[(3-hydroxypropyl)sulfanyl]ethyl}amino)benzonitrile | C12H15FN2OS

2-Fluoro-6-({2-[(3-hydroxypropyl)sulfanyl]ethyl}amino)benzonitrile

  • Molecular FormulaC12H15FN2OS
  • Average mass254.324 Da
  • Monoisotopic mass254.088913 Da
  • ChemSpider ID30170244

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Fluor-6-({2-[(3-hydroxypropyl)sulfanyl]ethyl}amino)benzonitril [German] [ACD/IUPAC Name]
2-Fluoro-6-({2-[(3-hydroxypropyl)sulfanyl]ethyl}amino)benzonitrile [ACD/IUPAC Name]
2-Fluoro-6-({2-[(3-hydroxypropyl)sulfanyl]éthyl}amino)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-fluoro-6-[[2-[(3-hydroxypropyl)thio]ethyl]amino]- [ACD/Index Name]
1333736-73-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 448.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 224.9±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.31
ACD/KOC (pH 5.5): 321.29
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.31
ACD/KOC (pH 7.4): 321.31
Polar Surface Area: 81 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 206.0±5.0 cm3

Click to predict properties on the Chemicalize site


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